[6-[(7,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | a140ef3e-9455-4cba-bf36-c7af95a477ed |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | [6-[(7,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H24O13/c24-10-3-4-14(16-9(10)1-2-11(25)18(16)29)35-23-21(32)20(31)19(30)15(36-23)7-34-22(33)8-5-12(26)17(28)13(27)6-8/h1-2,5-6,14-15,19-21,23,25-32H,3-4,7H2 |
| InChI Key | BIEMAGMUKHVOKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O13 |
| Molecular Weight | 508.40 g/mol |
| Exact Mass | 508.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of [6-[(7,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/87fc2ec0-8597-11ee-a405-c5109b382b04.jpg "2D Structure of [6-[(7,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.58% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.10% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.80% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 94.22% | 83.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.85% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.49% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.42% | 92.50% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.02% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.53% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.46% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.18% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.68% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.50% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.94% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.29% | 92.94% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.87% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.62% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.06% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.68% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 84.60% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.59% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.47% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.65% | 94.33% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.50% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.08% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.00% | 93.04% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Juglans sigillata |
| PubChem | 162944936 |
| LOTUS | LTS0137626 |
| wikiData | Q104936410 |